D201-0158 Screening compound: 1-[(1-ethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]propan-2-ol

D201-0158 Screening compound: 1-[(1-ethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]propan-2-ol
D201-0158 Screening compound: 1-[(1-ethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D201-0158
1-[(1-ethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]propan-2-ol

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D201-0158

Molecular Formula

C12H16N2OS (C12 H16 N2 OS)

Compound Name

1-[(1-ethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]propan-2-ol

IUPAC name

1-[(1-ethyl-1H-13-benzodiazol-2-yl)sulfanyl]propan-2-ol

SMILES

CCn1c(SCC(C)O)nc2c1cccc2

InChI

InChI=1S/C12H16N2OS/c1-3-14-11-7-5-4-6-10(11)13-12(14)16-8-9(2)15/h4-7,9,15H,3,8H2,1-2H3/t9-/m0/s1

InChI Key

YHKKFWUWDWWTRU-VIFPVBQESA-N

MDL Number (MFCD)

MFCD13969116

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

236.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.643

Distribution Coefficient, logD

2.643

Water Solubility, LogSw

-2.58

Polar Surface Area

27.223

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

D201-0158 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with D201-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D201-0158?
Check Price and Availability of D201-0158, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D201-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D201-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D201-0158
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D201-0158 available by request